butyl-tris(4-methoxyphenyl)boranuide; (4-chlorophenyl)methyl-diphenyl-sulfanium

Systemtic Name: butyl-tris(4-methoxyphenyl)boranuide; (4-chlorophenyl)methyl-diphenyl-sulfanium Openeye Name: butyl-tris(4-methoxyphenyl)boranuide; (4-chlorophenyl)methyl-diphenyl-sulfonium CAS Name: butyl-tris(4-methoxyphenyl)boranuide; (4-chlorophenyl)methyl-diphenylsulfonium IUPAC Name: butyl-tris(4-methoxyphenyl)boranuide; (4-chlorophenyl)methyl-diphenylsulfanium Traditional Name: butyl-tris(4-methoxyphenyl)boranuide; (4-chlorobenzyl)-diphenyl-sulfonium Formula: C44H46BClO3S MolecularWeight: 701.16324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCC)(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.C1=CC=C(C=C1)[S+](CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

[B-](CCCC)(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC.C1=CC=C(C=C1)[S+](CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C25H30BO3.C19H16ClS/c1-5-6-19-26(20-7-13-23(27-2)14-8-20,21-9-15-24(28-3)16-10-21)22-11-17-25(29-4)18-12-22;20-17-13-11-16(12-14-17)15-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h7-18H,5-6,19H2,1-4H3;1-14H,15H2/q-1;+1